Mol:EEL3044
Copyright: ARM project http://www.metabolome.jp/
112112 0 0 0 0 0 0 0 0999 V2000
-11.1001 2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1908 3.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4768 3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7624 3.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0478 3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3334 3.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6192 3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9048 3.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1902 3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4758 3.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7615 3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 3.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3329 3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6185 3.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9039 3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2283 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5941 1.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8797 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1653 1.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4508 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7366 1.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 0.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2441 1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5298 0.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 0.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4768 2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6192 2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7615 2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9039 2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8797 -0.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 -0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 -0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1896 3.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 1.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3783 2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7674 1.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1083 0.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1918 2.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9686 1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3343 0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6199 1.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9058 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1911 1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 0.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0482 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3336 1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6193 0.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9049 1.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1905 0.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4762 1.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7619 0.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3575 3.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7232 2.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0089 3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2946 2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5800 3.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 2.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1013 3.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3872 3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6727 3.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9581 3.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 3.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6198 1.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7623 1.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9048 1.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0471 1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0087 4.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1011 4.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2436 4.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 3.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9359 -0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9359 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8351 2.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3188 2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0341 3.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2289 1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4533 0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 3.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0201 4.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5686 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9586 2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3001 3.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3820 1.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0686 0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8936 3.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5932 4.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8631 1.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0688 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0686 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0686 -0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8936 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8936 -0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2445 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2445 -0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4195 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4195 -0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5945 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5945 -0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7695 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7695 -0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4195 -1.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4195 -2.6475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4195 -3.4725 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.4195 -4.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2445 -3.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5945 -3.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8936 0.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 6 5 1 0 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 1 0 15 14 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 3 27 1 0 7 28 1 0 11 29 1 0 15 30 1 0 18 31 1 0 22 32 1 0 26 33 1 0 15 34 1 0 26 35 1 0 36 37 1 0 37 38 1 0 36 39 1 0 40 38 1 0 41 40 1 0 42 41 1 0 43 42 1 0 44 43 1 0 45 44 1 0 46 45 1 0 47 46 1 0 48 47 1 0 49 48 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 39 55 1 0 42 66 1 0 46 67 1 0 50 68 1 0 54 69 1 0 57 70 1 0 61 71 1 0 65 72 1 0 54 73 1 0 65 74 1 0 34 74 1 0 35 73 1 0 75 76 1 0 21 76 1 0 22 77 1 0 79 80 1 0 61 78 1 0 60 80 1 0 76 81 1 0 77 82 1 0 82 81 1 0 79 83 1 0 83 78 1 0 80 84 1 0 85 86 1 0 86 87 1 0 85 88 1 0 16 88 1 0 1 87 1 0 85 89 1 0 36 90 1 0 90 91 1 0 36 92 1 0 85 93 1 0 89 94 1 0 94 95 1 0 94 96 1 0 96 97 1 0 94 98 1 0 98 99 1 0 98100 1 0
100101 1 0 100102 1 0 102103 1 0 102104 1 0 104105 1 0 101106 1 0 106107 1 0 107108 1 0 108109 1 0 108110 2 0 108111 2 0
89112 1 0
A 106 Glc S SKP 6 AUTODRAW FALSE ID EEL3044 FORMULA C93H186O16S EXACTMASS 1591.346160594 AVERAGEMASS 1592.52834 SMILES C(C)(C1)CCCC(C)CCCC(CCOC(COCCC(CCCC(C)CCCC(CCCC(C)CCC(CCCC(C)CCCC(C)CCCC(C)CCOC(COCCC(C)CCCC(CCCC(CCCC(CCC(C)CC1)C)C)C)([H])C(O)C(CO)(O)C(C(C(CO)O)OCOS(O)(=O)=O)O)C)C)C)(CO)[H])C M END
